2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one

C24H31N3O5 — CID 16802982

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCCCC3)co2)CC1
InChIInChI=1S/C24H31N3O5/c1-30-22-8-4-3-7-20(22)26-13-11-25(12-14-26)16-19-15-21(28)23(17-31-19)32-18-24(29)27-9-5-2-6-10-27/h3-4,7-8,15,17H,2,5-6,9-14,16,18H2,1H3
InChIKeyRGRVMFVGBOJXIU-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.36
Rot. Bonds7

About 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one (PubChem CID 16802982) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
PubChem CID16802982
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCCCC3)co2)CC1
InChIInChI=1S/C24H31N3O5/c1-30-22-8-4-3-7-20(22)26-13-11-25(12-14-26)16-19-15-21(28)23(17-31-19)32-18-24(29)27-9-5-2-6-10-27/h3-4,7-8,15,17H,2,5-6,9-14,16,18H2,1H3
InChIKeyRGRVMFVGBOJXIU-UHFFFAOYSA-N
XLogP2.36
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one with MolForge

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Related Compounds

2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-benzylpiperazin-1-yl)methyl]pyran-4-one
CID 18575649
2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 7292891
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7178584
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]-2-(piperidin-1-ylmethyl)pyran-4-one
CID 71703323
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7178427
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one
CID 71962562
5-[(4-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803006
5-[(3-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803011
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
2-(morpholin-4-ylmethyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]pyran-4-one
CID 71708802
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 2204350

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one (CID 16802982) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one is COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCCCC3)co2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one?
The InChIKey is RGRVMFVGBOJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-30-22-8-4-3-7-20(22)26-13-11-25(12-14-26)16-19-15-21(28)23(17-31-19)32-18-24(29)27-9-5-2-6-10-27/h3-4,7-8,15,17H,2,5-6,9-14,16,18H2,1H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one has a molecular weight of 441.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one is sourced from PubChem (CID 16802982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).